6-methoxy-1-(5-methylthiophen-3-yl)-2,3-dihydroinden-1-amine

C15H17NOS — CID 79375071

IUPAC6-methoxy-1-(5-methylthiophen-3-yl)-2,3-dihydroinden-1-amine
SMILESCOc1ccc2c(c1)C(N)(c1csc(C)c1)CC2
InChIInChI=1S/C15H17NOS/c1-10-7-12(9-18-10)15(16)6-5-11-3-4-13(17-2)8-14(11)15/h3-4,7-9H,5-6,16H2,1-2H3
InChIKeyZQQITMLKDWTMMP-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.21
Rot. Bonds2

About 6-methoxy-1-(5-methylthiophen-3-yl)-2,3-dihydroinden-1-amine

6-methoxy-1-(5-methylthiophen-3-yl)-2,3-dihydroinden-1-amine (PubChem CID 79375071) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 6-methoxy-1-(5-methylthiophen-3-yl)-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-methoxy-1-(5-methylthiophen-3-yl)-2,3-dihydroinden-1-amine
PubChem CID79375071
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name6-methoxy-1-(5-methylthiophen-3-yl)-2,3-dihydroinden-1-amine
SMILESCOc1ccc2c(c1)C(N)(c1csc(C)c1)CC2
InChIInChI=1S/C15H17NOS/c1-10-7-12(9-18-10)15(16)6-5-11-3-4-13(17-2)8-14(11)15/h3-4,7-9H,5-6,16H2,1-2H3
InChIKeyZQQITMLKDWTMMP-UHFFFAOYSA-N
XLogP3.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-1-phenyl-2,3-dihydroinden-1-amine
CID 79374582
1-(3-fluoro-4-methoxyphenyl)-6-methoxy-2,3-dihydroinden-1-amine
CID 79371978
1-(3-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 107359302
1-(3-fluoro-5-methylphenyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79696984
1-(2-fluorophenyl)-6-methoxy-2,3-dihydroinden-1-amine
CID 79375070
1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine
CID 54919051
1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79248291
1-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79240760
1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 62800508
(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one
CID 67359240
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 65313131

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(5-methylthiophen-3-yl)-2,3-dihydroinden-1-amine?
The IUPAC name of 6-methoxy-1-(5-methylthiophen-3-yl)-2,3-dihydroinden-1-amine (CID 79375071) is 6-methoxy-1-(5-methylthiophen-3-yl)-2,3-dihydroinden-1-amine.
What is the SMILES notation for 6-methoxy-1-(5-methylthiophen-3-yl)-2,3-dihydroinden-1-amine?
The canonical SMILES for 6-methoxy-1-(5-methylthiophen-3-yl)-2,3-dihydroinden-1-amine is COc1ccc2c(c1)C(N)(c1csc(C)c1)CC2.
What is the InChIKey of 6-methoxy-1-(5-methylthiophen-3-yl)-2,3-dihydroinden-1-amine?
The InChIKey is ZQQITMLKDWTMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-10-7-12(9-18-10)15(16)6-5-11-3-4-13(17-2)8-14(11)15/h3-4,7-9H,5-6,16H2,1-2H3.
What are the key properties of 6-methoxy-1-(5-methylthiophen-3-yl)-2,3-dihydroinden-1-amine?
6-methoxy-1-(5-methylthiophen-3-yl)-2,3-dihydroinden-1-amine has a molecular weight of 259.37 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(5-methylthiophen-3-yl)-2,3-dihydroinden-1-amine is sourced from PubChem (CID 79375071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).